CID 198304

Brn 0833568

Structural Information

Molecular Formula
C14H17N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H17N2O4PS/c1-3-17-21(22,18-4-2)20-14-11-10-13(15-16-14)19-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKey
YSNYOIFPPZYKGH-UHFFFAOYSA-N
Compound name
diethoxy-(6-phenoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.06467 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07195 174.6
[M+Na]+ 363.05389 181.4
[M-H]- 339.05739 177.4
[M+NH4]+ 358.09849 186.0
[M+K]+ 379.02783 178.5
[M+H-H2O]+ 323.06193 162.8
[M+HCOO]- 385.06287 196.1
[M+CH3COO]- 399.07852 206.9
[M+Na-2H]- 361.03934 176.3
[M]+ 340.06412 182.0
[M]- 340.06522 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.